2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one

C10H9FN2OS — CID 135523628

IUPAC2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C10H9FN2OS/c1-6-9(14)13-10(15-6)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13,14)
InChIKeyVOGWKEAOZLLKQT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.06
Rot. Bonds1

About 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one

2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135523628) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135523628
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C10H9FN2OS/c1-6-9(14)13-10(15-6)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13,14)
InChIKeyVOGWKEAOZLLKQT-UHFFFAOYSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135406265
2-p-Tolylamino-thiazol-4-one
CID 135411781
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
N-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 610851
2-[(4-Fluorophenyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135426081
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
4-(Phenylamino)-2(5H)-thiazolone
CID 135412584
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
(Z)-4-((4-fluorophenyl)imino)thiazolidin-2-one
CID 135399109
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one (CID 135523628) is 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N\c2ccc(F)cc2)NC1=O.
What is the InChIKey of 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is VOGWKEAOZLLKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-9(14)13-10(15-6)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13,14).
What are the key properties of 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).